diff --git a/README.md b/README.md index 97234704..16cbbe6c 100644 --- a/README.md +++ b/README.md @@ -22,10 +22,22 @@ We show that this approach is not only sufficiently expressive to reproduce lega # Installation +We recommend using [`mamba`](https://mamba.readthedocs.io/en/latest/mamba-installation.html#mamba-installation) which is a drop-in replacement for `conda` and is much faster. + +```bash +$ mamba create --name espaloma -c conda-forge "espaloma=0.3.2" +``` + +Note: If you are using a Mac with a M1/M2 chip, you will need to install and run `espaloma` using [Rosetta](https://support.apple.com/en-au/HT211861) by using the following commands: + ```bash -$ conda install -c conda-forge "espaloma=0.3.2" +CONDA_SUBDIR=osx-64 mamba create --name espaloma -c conda-forge "espaloma=0.3.2" +mamba activate espaloma +mamba config --env --set subdir osx-64 ``` +This will ensure that any other packages installed in the `espaloma` will also use Rosetta. + # Example: Deploy espaloma 0.3.2 pretrained force field to arbitrary MM system ```python